CID 3356016

N-(3-chloro-4-fluorophenyl)-2-[(3-methylphenyl)sulfanyl]acetamide

Structural Information

Molecular Formula
C15H13ClFNOS
SMILES
CC1=CC(=CC=C1)SCC(=O)NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C15H13ClFNOS/c1-10-3-2-4-12(7-10)20-9-15(19)18-11-5-6-14(17)13(16)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKey
LSLPDNADAPCDKB-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.03903 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04631 165.2
[M+Na]+ 332.02825 174.2
[M-H]- 308.03175 171.0
[M+NH4]+ 327.07285 181.4
[M+K]+ 348.00219 167.3
[M+H-H2O]+ 292.03629 157.9
[M+HCOO]- 354.03723 178.8
[M+CH3COO]- 368.05288 204.7
[M+Na-2H]- 330.01370 166.0
[M]+ 309.03848 168.5
[M]- 309.03958 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.